1. Structures of 3-Heptyne (Ethyl Propyl Acetylene)
Geoffrey B. Churchill & Robert K. Bohn
University of Connecticut
June 20, 2006
3-heptyne title

2. Hyperconjugation in Ethane

3. Ethane/Butane Torsional Barrier

4. Butane Conformers
butanes

5. Extending Butane to 3-Hexyne
Extended butanes

6. 3-Hexyne, C2v
B = 1408 (MHz)
A = 9411
3-hexyne C2v
C = 1270

8. 9 b-types, That’s all Folks! In 6-20 GHz

9. Pentane C1
10 a-, 5 b-, 8 c-types

10. Propyl Conformations
Anti Gauche
3-heptyne, propyl G and A

11. 4-Methyl-1-pentyne (C1)
H to Pi interaction

12. Acetylene Dihedral Angle
3-heptyne acetylene dih. angles
Propyl Anti
Propyl Gauche

13. C1 assignment, 3-heptyne
24 b-/4 c-

14. C1 3-Heptyne Planar Moment
Pcc = i mi ci2
3heptyne Pcc vs. torsion of ethyl & propyl groups

15. 3-heptyne, Cs assignment
16 b-types

16. Acetylene Dihedral Angle
3-heptyne acetylene dih. angles
Propyl Anti
Propyl Gauche

17. Conclusion

18. Acknowledgments